| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:34 UTC |
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| Update Date | 2025-03-21 18:03:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042283 |
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| Frequency | 80.9 |
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| Structure | |
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| Chemical Formula | C12H13N |
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| Molecular Mass | 171.1048 |
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| SMILES | Cc1ccc2c(C)ccc(C)c2n1 |
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| InChI Key | BAPDDVZQIJZBPQ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | quinolines and derivatives |
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| Subclass | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundmethylpyridinepyridinearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compound |
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